tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate

C23H33ClN2O5Si — CID 67185751

IUPACtert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c(C[C@H]3COCCN3C(=O)OC(C)(C)C)c([Si](C)(C)C)[nH]c12
InChIInChI=1S/C23H33ClN2O5Si/c1-23(2,3)31-22(28)26-8-9-30-13-15(26)12-17-16-10-14(24)11-18(21(27)29-4)19(16)25-20(17)32(5,6)7/h10-11,15,25H,8-9,12-13H2,1-7H3/t15-/m0/s1
InChIKeyTYQVKXFSSBFDTG-HNNXBMFYSA-N
MW481.07 g/mol
LogP4.33
Rot. Bonds4

About tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate

tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate (PubChem CID 67185751) has the molecular formula C23H33ClN2O5Si and a molecular weight of 481.07 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
PubChem CID67185751
Molecular FormulaC23H33ClN2O5Si
Molecular Weight481.07 g/mol
Exact Mass480.18
IUPAC Nametert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2c(C[C@H]3COCCN3C(=O)OC(C)(C)C)c([Si](C)(C)C)[nH]c12
InChIInChI=1S/C23H33ClN2O5Si/c1-23(2,3)31-22(28)26-8-9-30-13-15(26)12-17-16-10-14(24)11-18(21(27)29-4)19(16)25-20(17)32(5,6)7/h10-11,15,25H,8-9,12-13H2,1-7H3/t15-/m0/s1
InChIKeyTYQVKXFSSBFDTG-HNNXBMFYSA-N
XLogP4.33
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.07
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate (CID 67185751) is tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate is COC(=O)c1cc(Cl)cc2c(C[C@H]3COCCN3C(=O)OC(C)(C)C)c([Si](C)(C)C)[nH]c12.
What is the InChIKey of tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
The InChIKey is TYQVKXFSSBFDTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H33ClN2O5Si/c1-23(2,3)31-22(28)26-8-9-30-13-15(26)12-17-16-10-14(24)11-18(21(27)29-4)19(16)25-20(17)32(5,6)7/h10-11,15,25H,8-9,12-13H2,1-7H3/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate?
tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate has a molecular weight of 481.07 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 67185751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).